2-[4-[[4-(chloromethyl)phenyl]carbamothioylamino]phenoxy]-N,N-dicyclohexyl-ethanamide

Systemtic Name: 2-[4-[[4-(chloromethyl)phenyl]carbamothioylamino]phenoxy]-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[4-[[4-(chloromethyl)phenyl]carbamothioylamino]phenoxy]-N,N-dicyclohexyl-acetamide CAS Name: 2-[4-[[[4-(chloromethyl)anilino]-sulfanylidenemethyl]amino]phenoxy]-N,N-dicyclohexylacetamide IUPAC Name: 2-[4-[[4-(chloromethyl)phenyl]carbamothioylamino]phenoxy]-N,N-dicyclohexylacetamide Traditional Name: 2-[4-[[4-(chloromethyl)phenyl]thiocarbamoylamino]phenoxy]-N,N-dicyclohexyl-acetamide Formula: C28H36ClN3O2S MolecularWeight: 514.12234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)COC3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)CCl

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)COC3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)CCl

InChI

InChI=1S/C28H36ClN3O2S/c29-19-21-11-13-22(14-12-21)30-28(35)31-23-15-17-26(18-16-23)34-20-27(33)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h11-18,24-25H,1-10,19-20H2,(H2,30,31,35)